UCSF

ZINC19973782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 10.16 -72.11 1 6 0 78 407.514 9
Lo Low (pH 4.5-6) 2.64 9.33 -45.88 2 6 1 75 408.522 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )